Benzimidazole

Benzimidazole

SCHEMBL4306997

NCC(N)=O.c1ccc2[nH]cnc2c1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.47
▸ WNT3A P56704 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PARP1 P09874 2/20 0.46
▸ NAMPT P43490 1/20 0.43
▸ PDPK1 O15530 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.40
▸ QPCTL Q9NXS2 2/20 0.40
▸ QPCT Q16769 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzimidazole SCHEMBL5070094 0.89 KDM4E (0.51) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL4371075 0.89 KDM4E (0.51) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL158526 0.87 SMN1; SMN2 (0.54) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL9028632 0.86 SMN1; SMN2 (0.49) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL10531809 0.86 KDM4E (0.49) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL16516335 0.83 SMN1; SMN2 (0.57) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL8901469 0.83 SMN1; SMN2 (0.57) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL2334176 0.83 PRKCI (0.50) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Benzimidazole SCHEMBL11810774 0.83 KDM4E (0.46) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1
Terephthalamide SCHEMBL29216571 0.83 PARP1 (0.54) CTNNB1WNT3ASMN1; SMN2KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134754-A1 BENZOIMIDAZOLE GLYCINAMIDES AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 — — WO disclosed
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